CS-0539923
Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate
Manufacturer: ChemScene
CAS Number: 180267-18-9
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₀F₃NO₂
Molecular Weight
257.21
Synonyms
Benzeneacetic acid, α-cyano-4-(trifluoromethyl)-, ethyl ester
SMILES
CCOC(=O)C(C#N)C1=CC=C(C=C1)C(F)(F)F
Tpsa
50.09
Logp
2.87568
H Acceptors
3
H Donors
0
Rotatable Bonds
3
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀F₃NO₂
Molecular Weight: 257.21
Synonyms: Benzeneacetic acid, α-cyano-4-(trifluoromethyl)-, ethyl ester
SMILES: CCOC(=O)C(C#N)C1=CC=C(C=C1)C(F)(F)F
Tpsa: 50.09
Logp: 2.87568
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀F₃NO₂
Molecular Weight:
257.21
Synonyms:
Benzeneacetic acid, α-cyano-4-(trifluoromethyl)-, ethyl ester
SMILES:
CCOC(=O)C(C#N)C1=CC=C(C=C1)C(F)(F)F
Tpsa:
50.09
Logp:
2.87568
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆BrClO
Molecular Weight: 221.48
Synonyms: None
SMILES: OC1=CC=C(Cl)C(C)=C1Br
Tpsa: 20.23
Logp: 3.11652
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆BrClO
Molecular Weight:
221.48
Synonyms:
None
SMILES:
OC1=CC=C(Cl)C(C)=C1Br
Tpsa:
20.23
Logp:
3.11652
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅BrO
Molecular Weight: 255.15
Synonyms: 2-bromohexanophenone
SMILES: CCCCC(C(=O)C1=CC=CC=C1)Br
Tpsa: 17.07
Logp: 3.823
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅BrO
Molecular Weight:
255.15
Synonyms:
2-bromohexanophenone
SMILES:
CCCCC(C(=O)C1=CC=CC=C1)Br
Tpsa:
17.07
Logp:
3.823
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: -20°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₈ClF₇N₂O₂
Molecular Weight: 416.68
Synonyms: LH2010A
SMILES: O=C(C1=C(C(F)=C(C(F)=C1F)OC)F)NCC2=NC=C(C(F)(F)F)C=C2Cl
Tpsa: 51.22
Logp: 4.2488
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
-20°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₈ClF₇N₂O₂
Molecular Weight:
416.68
Synonyms:
LH2010A
SMILES:
O=C(C1=C(C(F)=C(C(F)=C1F)OC)F)NCC2=NC=C(C(F)(F)F)C=C2Cl
Tpsa:
51.22
Logp:
4.2488
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4